Manganese in the structure of Crystal Structure of Maf-Like Protein TBRU21784AAA From T.Brucei (pdb 2amh)

The binding sites of Manganese atom in the structure of Crystal Structure of Maf-Like Protein TBRU21784AAA From T.Brucei (pdb code 2amh). This binding sites where shown with 5.0 Angstroms radius around Manganese atom. The 2amh structure was solved by J.CARUTHERS, E.MERRITT, STRUCTURAL GENOMICS OF PATHOGENIC PROTOZOACONSORTIUM (SGPP), with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 18.0-2.0 Space group I4 a (A) 97.068 b (A) 97.068 c (A) 48.894 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 19.7 Rfree (%) 23.1 Manganese Binding Sites: Manganese binding site 1 out of 3 in 2amh Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Manganese in the PDB 2amh. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Manganese atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Glu45, A: Lys64, A: Lys101, A: So4400, A: So4401, A: Mn2001, A: Hoh3028, A: Hoh3064, A: Hoh3080, A: Hoh3086, conact list: Atom Atom Distance (A) Mn OE1 A:Glu45 2.38 Mn OE2 A:Glu45 3.79 Mn CD A:Glu45 3.41 Mn CG A:Glu45 4.68 Mn CE A:Lys64 4.32 Mn NZ A:Lys64 3.69 Mn CE A:Lys101 4.67 Mn NZ A:Lys101 4.43 Mn S A:So4400 3.65 Mn O1 A:So4400 2.44 Mn O2 A:So4400 3.80 Mn O4 A:So4400 4.67 Mn O3 A:So4400 4.43 Mn S A:So4401 3.45 Mn O1 A:So4401 4.38 Mn O2 A:So4401 3.49 Mn O4 A:So4401 4.42 Mn O3 A:So4401 2.34 Mn MN A:Mn2001 4.02 Mn O A:Hoh3028 4.15 Mn O A:Hoh3064 4.74 Mn O A:Hoh3080 2.20 Mn O A:Hoh3086 2.39 interactive model: Manganese binding site 2 out of 3 in 2amh Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Manganese in the PDB 2amh. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Manganese atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Glu45, A: Ile60, A: Lys64, A: Asp89, A: Gln90, A: Glu100, A: So4400, A: Mn1001, A: Hoh3056, A: Hoh3086, A: Hoh3087, conact list: Atom Atom Distance (A) Mn OE1 A:Glu45 3.59 Mn CB A:Glu45 4.82 Mn OE2 A:Glu45 2.14 Mn CD A:Glu45 3.20 Mn CG A:Glu45 4.51 Mn CD1 A:Ile60 4.73 Mn CG2 A:Ile60 4.65 Mn CE A:Lys64 4.64 Mn NZ A:Lys64 3.95 Mn CB A:Asp89 4.51 Mn OD2 A:Asp89 3.69 Mn OD1 A:Asp89 2.20 Mn CG A:Asp89 3.26 Mn CA A:Asp89 4.79 Mn O A:Gln90 4.43 Mn N A:Gln90 4.61 Mn OE1 A:Glu100 4.18 Mn OE2 A:Glu100 3.50 Mn CD A:Glu100 3.76 Mn CG A:Glu100 4.32 Mn S A:So4400 3.04 Mn O1 A:So4400 2.34 Mn O2 A:So4400 4.11 Mn O4 A:So4400 2.55 Mn O3 A:So4400 4.00 Mn MN A:Mn1001 4.02 Mn O A:Hoh3056 4.97 Mn O A:Hoh3086 4.00 Mn O A:Hoh3087 1.87 interactive model: Manganese binding site 3 out of 3 in 2amh Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Manganese in the PDB 2amh. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Manganese atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Phe54, A: Glu58, A: His140, A: Hoh3012, A: Hoh3013, A: Hoh3081, A: Hoh3083, A: Hoh3084, A: Hoh3085, conact list: Atom Atom Distance (A) Mn CB A:Phe54 4.62 Mn OE1 A:Glu58 3.76 Mn NE2 A:His140 2.23 Mn ND1 A:His140 4.35 Mn CD2 A:His140 3.09 Mn CE1 A:His140 3.30 Mn CG A:His140 4.29 Mn O A:Hoh3012 4.29 Mn O A:Hoh3013 2.38 Mn O A:Hoh3081 2.48 Mn O A:Hoh3083 2.28 Mn O A:Hoh3084 2.34 Mn O A:Hoh3085 2.36 interactive model: